4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide

C15H19N3OS — CID 118728359

IUPAC4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H19N3OS/c1-11(2)7-8-16-13-5-3-12(4-6-13)14(19)18-15-17-9-10-20-15/h3-6,9-11,16H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyJDSMYKUUOQVDLL-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.85
Rot. Bonds6

About 4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide

4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 118728359) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID118728359
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H19N3OS/c1-11(2)7-8-16-13-5-3-12(4-6-13)14(19)18-15-17-9-10-20-15/h3-6,9-11,16H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyJDSMYKUUOQVDLL-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 118728359) is 4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide is CC(C)CCNc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is JDSMYKUUOQVDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(2)7-8-16-13-5-3-12(4-6-13)14(19)18-15-17-9-10-20-15/h3-6,9-11,16H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide?
4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 289.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 118728359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).